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Home >> Chemical Listing >> Page 1597 >> 3-({[(4-Chlorophenoxy)Acetyl]Carbamothioyl}Amino)Benzoic Acid

3-({[(4-Chlorophenoxy)Acetyl]Carbamothioyl}Amino)Benzoic Acid
[CAS# 461421-42-1]

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Identification
Name 3-({[(4-Chlorophenoxy)Acetyl]Carbamothioyl}Amino)Benzoic Acid
Synonyms 3-({[(4-Chlorophenoxy)acetyl]carbamothioyl}amino)benzoic acid; Benzoic acid, 3-[[[[2-(4-chlorophenoxy)acetyl]amino]thioxomethyl]amino]-
Molecular Structure CAS#: 461421-42-1, 3-({[(4-Chlorophenoxy)Acetyl]Carbamothioyl}Amino)Benzoic Acid
Molecular Formula C16H13ClN2O4S
Molecular Weight 364.80
CAS Registry Number 461421-42-1
SMILES Clc2ccc(OCC(=O)NC(=S)Nc1cc(C(=O)O)ccc1)cc2
InChI 1S/C16H13ClN2O4S/c17-11-4-6-13(7-5-11)23-9-14(20)19-16(24)18-12-3-1-2-10(8-12)15(21)22/h1-8H,9H2,(H,21,22)(H2,18,19,20,24)
InChIKey SXKLDJDILSNNCM-UHFFFAOYSA-N
Properties
Density 1.485g/cm3 (Cal.)
Refractive index 1.692 (Cal.)
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